CID 3592660

70422-22-9

Structural Information

Molecular Formula

C₁₀H₁₄F₂

SMILES

C1C2CC3CC1CC(C2)(C3F)F

InChI

InChI=1S/C10H14F2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9H,1-5H2

InChIKey

ZFOWGCVSVBFAMK-UHFFFAOYSA-N

Compound name

1,2-difluoroadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 172.10635 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.11363	138.6
[M+Na]+	195.09557	143.0
[M-H]-	171.09907	132.3
[M+NH4]+	190.14017	166.0
[M+K]+	211.06951	139.2
[M+H-H2O]+	155.10361	131.3
[M+HCOO]-	217.10455	144.7
[M+CH3COO]-	231.12020	148.1
[M+Na-2H]-	193.08102	148.6
[M]+	172.10580	135.2
[M]-	172.10690	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe